N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

C15H19N3O2S — CID 128968053

IUPACN-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C15H19N3O2S/c1-18(6-4-12-3-2-8-21-12)15(19)13-9-16-17-14(13)11-5-7-20-10-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,16,17)
InChIKeyPTUMUDAVVWTCLE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide

N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 128968053) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID128968053
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C15H19N3O2S/c1-18(6-4-12-3-2-8-21-12)15(19)13-9-16-17-14(13)11-5-7-20-10-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,16,17)
InChIKeyPTUMUDAVVWTCLE-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129477803
N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 129472204
N-(furan-2-ylmethyl)-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472353
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide (CID 128968053) is N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is CN(CCc1cccs1)C(=O)c1cn[nH]c1C1CCOC1.
What is the InChIKey of N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PTUMUDAVVWTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(6-4-12-3-2-8-21-12)15(19)13-9-16-17-14(13)11-5-7-20-10-11/h2-3,8-9,11H,4-7,10H2,1H3,(H,16,17).
What are the key properties of N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide?
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128968053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).